subroutine water_init()
use molecule
implicit none
   !-------------------------------------------------------------------------
   natom    = 3
   neighmax = 2
   molname  = "water"
   !
   if ( allocated(neigh   )) deallocate( neigh )
   if ( allocated(element )) deallocate( element )
   if ( allocated(molpos  )) deallocate( molpos  )
   allocate( element(natom), neigh(neighmax, natom), molpos(3,natom) )
   !
   element( 1) = "O"
   element( 2) = "H"
   element( 3) = "H"
   !
   neigh(:, 1) = (/ 2, 3 /)
   neigh(:, 2) = (/ 1, 0 /)
   neigh(:, 3) = (/ 1, 0 /)
   !
   molpos(:,1) = (/ 0.D0, 0.D0, 0.D0 /)
   molpos(:,2) = (/ 0.9572D0,0.D0,0.D0/)
   molpos(:,3) = (/ -0.2399872D0, 0.9266272D0, 0.D0 /)
   !-------------------------------------------------------------------------
end subroutine water_init
